Navegando por Assunto "Nanotecnologia"

Agora exibindo 1 - 14 de 14

Acesso aberto (Open Access)
Análise de estruturas planares em THz baseadas em grafeno
(Universidade Federal do Pará, 2016-01-28) NASCIMENTO, Clerisson Monte do; DMITRIEV, Victor Alexandrovich; http://lattes.cnpq.br/0684541646225359
In this work we analyse the properties of scattering of electromagnetic waves in graphene surfaces and the planar plasmonic based devices made of the same material, both in THz frequency region. The work is presented in form of four scientific papers. In the first one a numerical analysis of the plasmonic waves propagation in graphene elements is performed. The influence of geometrical configuration, chemical potential variation, angle of incidence and polarizations is analysed. That results give us the information to project two devices (the second and third) based on frequency selective surfaces (FSS) on THz range and that are composed only by graphene elements and dielectric substrates without the insertions of different metals. The first device consists in a THz electromagnetic filter made by an planar array of graphene ring-shaped elements placed in both sides of a dielectric substrate. The second device presents new multifunctional graphene device that can operate either as an electromagnetic, dynamically controlled, filter or as an eletromagnectic switch. Both devices operates based on Fano resonance effect. The fourth paper presents a new method of analysis of periodic planar structure, based on group theory approach. This method takes account the transversal and longitudinal components of induced current in the structure. By using this, one can obtain more information about the device properties than by using exitenting methods, which uses only longitudinal components of the induced currents. As application, we suggest an analyse a periodic array of graphene elements.
Acesso aberto (Open Access)
Análise in vitro do potencial antitumoral do conjugado LDE/Paclitaxel comparado à formulação do comercial Taxol sobre linhagem celular C6 de glioblastoma de rato
(Universidade Federal do Pará, 2022-09) ANJOS, Ana Carolina Brito dos Anjos; FRANCO, Edna Cristina Santos; http://lattes.cnpq.br/5939607544965550; https://orcid.org/0000-0003-2909-949X; LEAL, Walace Gomes; http://lattes.cnpq.br/2085871005197072
Glioblastoma, also known as grade IV astrocytoma, is one of the most common and aggressive types of tumors in the central nervous system. Among the characteristics of this type of tumor, the following stand out: infiltration of isolated tumor cells in normal brain tissue, cell proliferation, angiogenesis and intense necrosis. Currently, the main therapeutic approach consists of surgical resection followed by radiotherapy and chemotherapy. However, in most cases, the tumor is not well defined, spreading through the brain region, which makes it difficult to fully resection. In addition, the removal of tissue from this region can leave several sequels. Consequently, patients have high rates of recurrence and low rates of survival. Another problem in the treatment of this type of tumor is due to the lining of the blood-brain barrier that restricts the entry of molecules and substances, including drugs. Thus, this project aims to analyze the antineoplastic effects of the association of a nanoparticle called LDE with a structure similar to low-density lipoprotein (LDL) that will act as a carrier of the drug paclitaxel (PTX), commercially known as Taxol®, it is a chemotherapeutic drug whose cell antiproliferative action has been proven in the treatment of other types of cancer, such as breast and refractory ovarian cancers. For this purpose, the mouse glioblastoma cell line C6 was used for performing in vitro analysis regarding the effects of these treatments on aspects of viability, cytotoxicity and cell death by apoptosis, using the ApoTox-GloTM Triplex Assay kit (Promega Corporation), which performs the three previously mentioned analyses, sequentially. To evaluate growth and drug effect on PTX and LDE/PTX treatment groups, approximately 1x106 cells were cultured in 96-well microplates at concentrations of 0.01; 0.1; 1 and 10 μM in the times of 24h, 48h and 72h. The control was not exposed to the compounds, containing only DMEM culture medium. Results obtained after treatments with PTX and LDE/PTX were expressed as mean ± standard deviation and analyzed by one-way (cytotoxicity) and two-way (viability and apoptosis) ANOVA, followed by Tukey's post hoc test. Differences were considered significant when p ˂ 0.05.
Acesso aberto (Open Access)
Caracterização físico-química e avaliação toxicológica preliminar do copolímero sulfato de condroitina-co-N-isopropilacrilamida para uso farmacêutico
(Universidade Federal do Pará, 2013-07-19) SANCHES, Suellen Christtine da Costa; COSTA, Roseane Maria Ribeiro; http://lattes.cnpq.br/0537372052713559; VASCONCELOS, Flávio de; http://lattes.cnpq.br/3695753129639448
The pharmaceutical industry uses polymers as nanoparticles in controlled release formulations and vector for having low cost compared to other methods of preparation of pharmaceutical dosage forms, apparently not being recognized by the body's defense system, provide improved efficacy, reduce toxicity and the dose of administered drug. The sulfate of chondroitin-co-N-isopropylacrylamide (SCM + NIPAAm) is a copolymer proposed for this purpose, from a synthetic polymer reaction, poly Nisopropylacrylamide (PNIPAAm) with thermosensitive characteristics with a natural, Chondroitin sulfate (CS), with bioadhesive characteristics. Thus, the copolymerization may be able to add these properties and to improve its use as a vehicle for controlled-release. This study aimed to characterize physico-chemical of sulfate chondroitin particles and N-isopropylacrylamide and SCM+NIPAAm copolymer (2.5% and 5%) and SCM+PNIPAAm 2.5% and a partial toxicological evaluation of one of these copolymers presenting the best properties of an efficient carrier of drugs, selected from the trials of physic-chemical characterization. To determine the chemical structure of the particulate systems and analyze the chemical components, it was performed Nuclear Magnetic Resonance Spectroscopy (RMN) and Infrared Fourier Transformed Spectroscopy (FTIR), to analyze the morphology of the particles, it was used Electron Microscopy (SEM), The Thermogravimetry and Differential Thermal Analysis (TG/DTA) was used to evaluate the thermal behavior of particulate systems, as well as assist in the analysis of kinetics of degradation (CD, Flynn-Wall-Ozawa method); it was also made in vitro degradation technique and surface charge determining and particles size (Zeta potential analysis, PZ). To evaluate the toxicity, it was performed bioassay in Artemia salina (24 and 48 hours), cell viability (cytotoxicity) on PC-12 cells (MTT method), and also acute oral toxicity in mice. The NMR, FTIR and SEM analysis showed similarity regarding the structural and morphologic aspects between the studied copolymers. TG analyzes showed that SCM+NIPAAm 5% showed higher thermal stability compared to the other copolymers evaluated, since its polymer decomposition occurs at temperatures above around 233 °C. DTA demonstrated temperature values consistent with decomposition thermal events provided by the curves of TG analysis. The stability was confirmed by CD and in vitro degradation study, presenting, respectively, Ea> 100 kJ mol-1 and 48% of its initial weight after three months. Furthermore, SCM+NIPAAm 5% presented particle diameter of less than 200 nm and polydispersity index of 0.35, and the PZ> -30mV, characteristics of a promising candidate as a drug carrier. Regarding toxicological evaluations, SCM+NIPAAm 5% did not show toxicity on bioassay A. saline (LC50> 1000) and in the cellular model evaluated within the concentrations and circumstances of exposure studied. The SCM+NIPAAm 5%, in the oral dose of 2000 mg/kg, did not show any obvious sign of toxicity in mice, which was confirmed by the absence of anatomical and histopathological changes. The copolymerization of chondroitin sulfate and N-isopropylacrylamide in the studied concentration, given its physical-chemical characteristics and toxicological preliminary, presents properties that contribute to propose a system which is a new form of controlled release, especially drugs.
Acesso aberto (Open Access)
Combinação de antenas dipolo e espira para aplicações em banda larga em nanocircuito óptico
(Universidade Federal do Pará, 2015-12-18) SOUZA, Janilson Leão de; COSTA, Karlo Queiroz da; http://lattes.cnpq.br/7932708321834647
In this work, it is theoretically investigated the effect of broadband cylindrical nanoantenna in a plasmonic optical nanocircuit. The circuit is composed of a nanoantenna formed by the combination of loop and dipole antennas that is connected to a twowire optical transmission line in which only the electric dipole is connected to the line. The numerical analysis of the nanocircuit is done by the linear Method of Moments (MoM), where gold cylindrical conductors are modeled with a given surface impedance. The analysis is divided into two parts. In the first part, only the isolated nanoantenna is discussed, where the values of input impedance, current distribution, reflection coefficient, percentage bandwidth and radiated efficiency are investigated. Then, in the second part, the impedance matching of the nanocircuit is analyzed, presenting the results of current variation, planar distribution of the near field and the voltage reflection coefficient for different geometrical parameters. The results show that the loop inserted into the circuit increases the bandwidth of nanoantenna (with bandwidth of up to 42%) and decreases the overall voltage reflection coefficient of the optical nanocircuit (reaching up to -25dB).
Acesso aberto (Open Access)
Desevolvimento de dispositivos eletrônicos orgânicos nano e micro-estruturados: memória volátil, sesores e fotocélulas
(Universidade Federal do Pará, 2011-02-14) REIS, Marcos Allan Leite dos; DEL NERO, Jordan; http://lattes.cnpq.br/5168545718455899
In this work, several nano and microstructured organic devices were developed based on molecules of 4-dimethyl amino azobenzene-2-carboxylic acid (Methyl Red – VM), C60 Fullerene, nanocomposite of Aluminum/Carbon Nanotubes (Al/NC) and polymers: Poly(3, 4- dioxithiophene ethylene)-poly(sulfonate stireno) – PEDOT-PSS and poly(3-hexiltiofeno) – P3HT. These devices are volatile memory, fuel sensors, thermal-piezoresisitive sensor and photocells, which were manufactured by spin-coating, drop casting and chemical vapor deposition, resulting in devices with planar or layer by layer geometry. Morphological, optical, electrical and thermal characterizations were performed on devices, resulting: (a) volatile memory with a bit retention time of 4.5 s, the characteristic curves of current vs. voltage with peak-valley ratios of 8: under a 10:1 voltage positive and negative electrical energized with electrical conductivity of 10-4 S / m (OFF state) to 3.10 S / m (ON) at room temperature, (b) fuel sensors like chemiresistor sensors characteristics with sensitivity to ethanol and gasohol in concentrations of 26.25 ppm, (c) thermal-piezoresistive sensor with polynomial relationship between temperature and electrical resistance, linear relationship between pressure and electrical resistance, more accurate than a K type thermocouple when compared to a mercury thermometer at room temperature, (d) photocells with better performance when doped by Methyl Red showed quantum efficiencies up to 0.04%, real power at 0.27 and power conversion efficiency of 2.0%. These results indicate that electronic devices developed showed a better performance in comparison to similar organics.
Acesso aberto (Open Access)
Development of computational 3D MoM algorithm for nanoplasmonics
(2013-12) SOUZA, Nadson Welkson Pereira de; COSTA, Karlo Queiroz da; DMITRIEV, Victor Alexandrovich
In this paper, we present an algorithm for full-wave electromagnetic analysis of nanoplasmonic structures. We use the three-dimensional Method of Moments to solve the electric field integral equation. The computational algorithm is developed in the language C. As examples of application of the code, the problems of scattering from a nanosphere and a rectangular nanorod are analyzed. The calculated characteristics are the near field distribution and the spectral response of these nanoparticles. The convergence of the method for different discretization sizes is also discussed.
Acesso aberto (Open Access)
Distribuição tecidual, neuroproteção e efeitos anti-inflamatórios do conjugado LDE/metotrexato após isquemia cortical induzida por microinjeções de endotelina 1 em ratos adultos
(Universidade Federal do Pará, 2017-04-05) PEREIRA, Edmundo Luís Rodrigues; BURBANO, Rommel Mario Rodriguéz; http://lattes.cnpq.br/4362051219348099; LEAL, Walace Gomes; http://lattes.cnpq.br/2085871005197072
Ischemic stroke is one of the leading causes of morbidity and mortality in adults worldwide. Currently, there is only a single pharmacological therapy available to treat such neural disorder, using a high-cost thrombolytic agent, which must be administered within 4 hours of the onset of symptoms, but with a significant risk of transforming the initially oligoemic area into a catastrophic cerebral haemorrhage. In the last decades, nanoparticles with high affinity for certain types of tissues and specially configured with an enhanced diffusibility through biological barriers, have been employed as vehicles to carry therapeutic agents. Among these, the novel liposomal nanoparticle LDE conjugated to the agent methotrexate (cLDE / MTX) has been successfully tested in several experimental models of inflammation, with promising results. Considering that modulation of the inflammatory process that accompanies cerebral infarction is of prognostic significance, the present study investigated the effects of cLDE / MTX upon an experimental model of cerebral ischemia induced by the vasoconstrictor agent endothelin-1 (ET-1) in the cerebral cortex of adults rats. During the first phase of the study, the behavior of tritiated LDE particles (LDE3H+) concerning the blood-brain barrier (BBB), once injected through the caudal vein, was evaluated in either sham animals (N = 18) and animals submited to ET-1 injection (80pMol / Μl) directly into the frontal cortex (N = 5). Further, the anti-inflammatory and neuroprotective effects of cLDE / MTX (1 mg / kg), also injected by caudal vein, were investigated in ischemic animals (N = 5), with the control group (N = 5) receiving only free LDE. All animals were perfused with 0.9% saline and 4% paraformaldehyde 7 days after ischemic induction. Histopathological findings were evaluated by staining with cresyl violet and immunohistochemistry for adult neuronal bodies (anti-NeuN), astrocytes (anti-GFAP) and microglia (anti-Iba1). The results showed that LDE3H+ positively crosses BBB in both sham animals and ischemic animals, and that cLDE / MTX treatment, despite the fact that it reduces not the total area of primary infarction, was able to considerably reduces microglial activation phenomenon at the center of the lesion, inducing as well a significant neuronal preservation at the periphery of the infarction, when compared to the control animals, injected only with unconjugated LDE (P <0.01). At last, the astrocytosis phenomena usually encountered in cerebral ischemia remained unchanged. The results indicate that cLDE / MTX is a promising anti-inflammatory and neuroprotective agent in such experimental model of ischemic stroke. Future studies are desirable in order to increase knowledge about these outcomes, including in animal models with longer survivals.
Acesso aberto (Open Access)
Eletrônica molecular via método híbrido DFT/FGNE em anéis fenilas acoplados a eletrodos metálicos de nanotubos de carbono: a regra de conformação e quiralidade molecular
(Universidade Federal do Pará, 2011-11-11) SILVA JÚNIOR, Carlos Alberto Brito da; DEL NERO, Jordan; http://lattes.cnpq.br/5168545718455899
In this thesis, we investigate in detail the electronic transport properties, conformation and symmetry of zz9 SWCN structures attached to phenyl rings (2, 3, 4 and 5) under the influence of external electric field (voltage) via hybrid method DFT type B3LYP 6-311G (d, p) combined with NEGF and Group Theory. We found a good relationship between: 1 - the chiral index () by Group Theory and the law of cos2 (, dihedral angle) for the geometry under the influence of external electric field because  only depends on the atomic positions () of conformations, and is also strongly correlated with current passing through the system; 2 - normalized conductance (G / Go) is proportional to cos2 in the region of the gap (EHOMO-ELUMO), ie, in regions where the resonance occurs negative differential resistance (NDR) and 3 - the Fowler-Northeim (FN) plot Vmin displays that occurs when the tail of a resonant transmission peak voltage enters the window, that is, when these structures is an NDR, NDR as the number of the IV plot is associated with the number Vmin of the FN plot and can be explained by the model of molecular transport line 4 - the barrier height (EF - EHOMO and ELUMO - EF) as a function of molecular length, 5 - Vmin as a function of barrier height (EF - EHOMO ) and the molecular length. Thus, one implies that the molecular conformation plays a major role in determining the transport properties of the junction, suggests that the second law of cos2 is a more general applicability regardless of the nature of the electrodes; 3 serves as a spectroscopic tool and also to identify the molecule at the junction, 4 and 5 as the molecular length reaches a certain value (1.3 nm) the Vmin remains virtually unchanged. The results showed that the structural properties (geometric) undergo significant changes with increasing external electric field that are in good agreement with the values found in literature. The behavior of I-V curves and G/Go-V lose their linear dependence to give rise to a nonlinear behavior with the appearance of NDR. This point reveals the structural modifications suffered by the system. The I-V plot confirmed the statements that were made through the structural analysis for the system considered and showed how it gives the load flow analysis systems.
Acesso aberto (Open Access)
Um estudo sobre a influência de defeitos de diferente natureza nas propriedades eletrônicas de nanotubos usando o método das ondas cilindricas linearizadas aumentadas
(Universidade Federal do Pará, 2014-12-12) GOMES, Fernando Antonio Pinheiro; PELAES, Evaldo Gonçalves; DMITRIEV, Victor Alexandrovich; http://lattes.cnpq.br/0684541646225359
The carbon and boron nitride nanotubes are one-dimensional structures which exhibit behavior both as metallic and semiconductor, depending on their chirality, except for the nanotubes of boron nitride which always have semiconductor characteristics, for pristine nanotubes. Due to their electronic characteristics, the nanotubes have great potential for application in nanoelectronic devices, such as nanodiodes, nanotransistors, interconnection elements, etc. For this reason, it is important to understand how external factors influence on the properties of such materials. One such factor is the introduction of external defects in the nanotubes. Such defects are the absence of one or more carbon atoms belonging to carbon nanotube and nitrogen or boron for boron nitride nanotubes, or the substitution of carbon, nitrogen or boron atoms by different ones in the structure of the corresponding nanotubes. This work presents a theoretical study of the effects of the introduction of a substitutional defects in the electronic properties of carbon and boron nitride nanotubes, via ab-initio simulation. The energy band and density of states structures was evaluated for both semiconducting and metallic carbon nanotube armchair and zig-zag types respectively and for boron nitride nanotube only armchair type using the method LACW - linearized augmented cylindrical waves. Furthermore, due to the boron nitride nanotubes are growing in importance, we make an additional systematic study of the electronic structure for these nanotubes, for a super cell formed by three unit cells, using intrinsic doping as well as quantitative analysis about relative stability based on the total energy and band gap value of these structures.
Acesso aberto (Open Access)
Interações de Quantum Dot com estruturas externas de vírus Nipah utilizando docking e dinâmica molecular
(Universidade Federal do Pará, 2023-01-30) ALMEIDA, Aguinaldo Pantoja de; OLIVEIRA, Mozaniel Santana de; http://lattes.cnpq.br/0810227136654245; HTTPS://ORCID.ORG/0000-0002-4076-2443; CHAVES NETO, Antônio Maia de Jesus; http://lattes.cnpq.br/3507474637884699; https://orcid.org/0000-0002-9730-3512
Performing the interaction of the outermost protein of the Nipah virus with fourteen structures with possible potential for the emission of quantum dots, using anchoring and molecular dynamics, using molecular docking platforms: CB Docking, Swiss DOCK, AutoDock Vina 4.2.6 to perform a comparison of results explaining the best values, in addition to using Gromacs 2022 to make ligand trajectories in relation to time. The mostly hydrophobic complexes at the receptor binding site. The tolerance energy results tolerated the partial loads of the tips which showed better stability, the RMSD results also respected this premise. Thus, the set formed by combining proteins with a quantum dot has the potential to more efficiently adsorbing of the protein components of the virus. Molecular dynamics and docking studies and verification of binding energy revealed strong and stable binding between para QD K and QD-G and QD-F with the macrostructure of NIPAH virus. It was established in the docking studies, that the binders have emission energy scores of -13,658 kcal/mol, -13.6 kcal/mol, -13.9 kcal/mol, for K, G and F respectively. The same result was applied in the Gibbs free energy verification study with values for F of 239.00 kcal/mol, G of 246.65 kcal/mol and K of 259.52 kcal/mol.
Acesso aberto (Open Access)
Nanotecnologia: a revolução silenciosa na segurança do trabalho
(Universidade Federal do Pará, 2023-09-28) ALMEIDA, Patrícia do Socorro Pereira Macêdo; DEL NERO, Jordan; http://lattes.cnpq.br/5168545718455899
A pesquisa exploratória tem como objetivo analisar a regulamentação existente em relação à nanotecnologia e seu impacto na segurança dos trabalhadores. O estudo se concentrará em examinar os desafios específicos associados à nanotecnologia, incluindo a falta de dados toxicológicos adequados para avaliar os riscos, a complexidade da caracterização dos nanomateriais e as limitações das técnicas de monitoramento existentes. Um dos principais desafios enfrentados é a falta de dados suficientes sobre os efeitos à saúde dos trabalhadores expostos a nanomateriais. A nanotecnologia é uma área relativamente nova, e ainda há muito a ser aprendido sobre os possíveis efeitos adversos à saúde que esses materiais podem causar. A falta de dados toxicológicos adequados dificulta a avaliação precisa dos riscos e a implementação de medidas de proteção eficazes. Além disso, a caracterização dos nanomateriais também é uma tarefa complexa. Suas propriedades físicas e químicas únicas exigem métodos de análise especializados e técnicas avançadas. A falta de padronização nesse campo dificulta a compreensão completa dos nanomateriais e sua relação com os efeitos à saúde. Outro desafio é a limitação das técnicas de monitoramento disponíveis para avaliar a exposição dos trabalhadores a nanomateriais. Os métodos tradicionais de monitoramento podem não ser adequados para detectar e quantificar a presença de nanomateriais no ambiente de trabalho, devido ao seu tamanho diminuto e às suas propriedades únicas. Isso dificulta a avaliação precisa da exposição dos trabalhadores e a implementação de medidas de controle apropriadas. O estudo também se propõe a examinar as estratégias e abordagens adotadas por diferentes países e organizações internacionais para enfrentar esses desafios e garantir a segurança dos trabalhadores expostos à nanotecnologia. Isso pode incluir o desenvolvimento de regulamentações específicas, a promoção de pesquisas e estudos toxicológicos, a criação de diretrizes de boas práticas e a implementação de medidas de controle de engenharia e proteção individual. Em resumo, a pesquisa exploratória visa analisar a regulamentação existente e os desafios relacionados à segurança dos trabalhadores na área da nanotecnologia. Compreender e abordar esses desafios é essencial para garantir a proteção dos trabalhadores e promover o uso seguro e responsável da nanotecnologia na indústria.
Acesso aberto (Open Access)
Prototipagem de sistema de alarme de incêndio baseado em sensor nanoestruturado integrado a IoT
(Universidade Federal do Pará, 2021-06-29) FREITAS, Luís Gustavo Oliveira de; REIS, Marcos Allan Leite dos; http://lattes.cnpq.br/8252507933374637
The improvement of remote sensing systems for the detection of forest fires or industrial plants is fundamental to the development of industry 4.0, and it is becoming increasingly important for many countries where forest fires occur frequently. Therefore, it is necessary to design and explore a device that has a quick response, that has remote monitoring in real time and can generate warning signs that precede major fires in indoor (indoor) and outdoor (outdoor) environments, this nanostructured sensor based on buckypaper that it consists of carbon nanotube films and has thermal sensitivities that can be measured in short response times. In the prototyping of the fire alert sensor, thermal tests were carried out to evaluate the effectiveness. Furthermore, it was integrated with IoT (Internet of Things) using the NodeMCU architecture together with the MQTT (Message Queuing Telemetry Transport) protocol, thus enabling the sending of the alert message to the end user through an Android application. Preliminary results show that this nanostructured sensor can be effective at distances of less than 1 meter from the fire source, for example at 20 cm, generating a thermovoltage of 2.3 mV over 80 seconds with a heat source at 240 ° C. This work shows the entire development process of this prototype with real-time monitoring with the function of issuing an early fire alert.
Acesso aberto (Open Access)
Resonant properties, of modified triangular plasmonic nanoparticles with higher field concentration
(2013-12) COSTA, Karlo Queiroz da; DMITRIEV, Victor Alexandrovich
In this paper, we present an analysis of the resonant response of modified triangular metallic nanoparticles with polynomial sides. The particles are illuminated by an incident plane wave and the method of moments is used to solve numerically the electromagnetic scattering problem. We investigate spectral response and near field distribution in function of the length and polynomial order of the nanoparticles. Our results show that in the analyzed wavelength range (0.5-1.8) µm these particles possess smaller number of resonances and their resonant wavelengths, near field enhancement and field confinement are higher than those of the conventional triangular particle with linear sides.
Acesso aberto (Open Access)
Simulação computacional de carreador lipídico nanoestruturado contendo gordura de cupuaçu (Theobroma Grandiflorum)
(Universidade Federal do Pará, 2017-10-19) VIEIRA, Ana Paula Bastos Ferreira; SILVA JÚNIOR, José Otávio Carréra; http://lattes.cnpq.br/4437885351749994
The constant evolution of the drug delivery systems boosted the search for new strategies, to obtain potentially promising formulations. Computational simulation and molecular modeling can provide effective contributions to the design and evaluation of complex systems, such as lipid nanocarriers containing natural inputs. In this work, a nanostructured lipid carrier (NLC) was proposed using triacylglycerols of cupuaçu fat and capric/caprylic acid, carnauba wax, tween 80®, pluronic® and an enantiomer of ketoconazole. Experimental tests were carried out to evaluate the crystallinity and thermal events of the lipid mixtures, which demonstrated that the M03 mixture had a lower enthalpy value (-15,17 J/g) and greater widening of the diffractogram peaks, suggesting a lower crystallinity structure. Computational simulations were performed to elucidate 3D structures, to study molecular and electrostatic properties, as well as intermolecular interactions with the drug. The molecular docking of M03 with ketoconazole showed interaction of the hydrogen bond type, with bond distance of 2,62 to 3,50Å and affinity energy of -5,3 Kcal/mol. The three-dimensional CLN model showed good molecular distribution and after simulation of molecular dynamics, the system remained stable (energy -1895,47 KJ / mol), with moderate to weak hydrogen bonding interactions and a distance of 2,45 to 3,50Å. RDF profiles established demonstrate strong interactions between ketoconazole and tween 80, between water and pluronic, between pluronic and SOO, and between tween 80 and SOO, all interactions occurring within the radius ≥2Å of distance. These results can be used as support to guide the future development of a CLN formulation, anticipating the experimental tests and helping to obtain thriving formulations.